Caryophyllene

Formula: C₁₅H₂₄
Molecular weight: 204.3511
IUPAC Standard InChI: InChI=1S/C15H24/c1-11-6-5-7-12(2)13-10-15(3,4)14(13)9-8-11/h6,13-14H,2,5,7-10H2,1,3-4H3/b11-6+/t13-,14-/m0/s1
IUPAC Standard InChIKey: NPNUFJAVOOONJE-IOMPXFEGSA-N
CAS Registry Number: 87-44-5
Chemical structure:
This structure is also available as a 2d Mol file
Species with the same structure:
Stereoisomers:
Other names: Bicyclo[7.2.0]undec-4-ene, 4,11,11-trimethyl-8-methylene-, [1R-(1R*,4E,9S*)]-; Bicyclo[7.2.0]undec-4-ene, 4,11,11-trimethyl-8-methylene-, (E)-(1R,9S)-(-)-; β-Caryophyllen; β-Caryophyllene; trans-Caryophyllene; L-Caryophyllene; Bicyclo(7.2.0)undec-4-ene, 8-methylene-4,11,11-trimethyl-, (E)-(1R,9S)-(-)-; 8-Methylene-4,11,11-(trimethyl)bicyclo(7.2.0)undec-4-ene, (1R,4E,9S)-; beta-Caryophyllene; β-(E)-Caryophyllene; β-trans-Caryophyllene; Caryophyllene, (E); E-β-Caryophyllene; (E)-Caryophyllene; trans-β-Caryophyllene; (-)-(E)-Caryophyllene; Caryophyllene B; NSC 11906; t-β-caryophyllene; β-Caryophillene; 4,11,11-Trimethyl-8-methylenebicyclo[7.2.0]undec-4-ene; β-cariofillene; β-caryophellene; bicyclo[7.2.0]undec-4-ene, 4,11,11-trimethyl-8-methylene-[1R-(4E,9S)]; (E)-β-Caryophylene
Information on this page:
Other data available:
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Van Den Dool and Kratz RI, polar column, temperature ramp

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Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	RTX-Wax	BP-20	BP-20	BP-20	HP-Innowax
Column length (m)	60.	50.	50.	50.	30.
Carrier gas	He	He	He	He	He
Substrate
Column diameter (mm)	0.22	0.22	0.22	0.22	0.25
Phase thickness (μm)	0.25	0.25	0.25	0.25	0.25
T_start (C)	60.	60.	60.	60.	60.
T_end (C)	230.	220.	220.	220.	280.
Heat rate (K/min)	2.	2.	2.	2.	3.
Initial hold (min)
Final hold (min)	30.	20.	20.	20.
I	1591.	1594.	1600.	1593.	1604.
Reference	Bendahou, Muselli, et al., 2008	Boti, Koukoua, et al., 2007	Castilho, Liu, et al., 2007	Duquesnoy, Castola, et al., 2007	Kundakovic, Fokialakis, et al., 2007
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	BP-20	HP-20M	HP-20M	RTX-Wax	RTX-Wax
Column length (m)	50.	50.	50.	60.	60.
Carrier gas	He	He	He	He	He
Substrate
Column diameter (mm)	0.22	0.2	0.2	0.22	0.22
Phase thickness (μm)	0.25	0.2	0.2	0.25	0.25
T_start (C)	60.	70.	70.	60.	60.
T_end (C)	220.	180.	180.	230.	230.
Heat rate (K/min)	2.	4.	4.	2.	2.
Initial hold (min)		4.	4.
Final hold (min)	20.	10.	15.	30.	35.
I	1589.	1558.	1583.	1568.	1593.
Reference	Lesueur, de Rocca Serra, et al., 2007	Maksimovic, Vidic, et al., 2007	Maric, Jukic, et al., 2007	Muselli, Rossi, et al., 2007	Paolini J., Costa J., et al., 2007
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	RTX-Wax	HP-20M	HP-Innowax	DB-Wax	BP-20
Column length (m)	60.	50.	30.	30.	50.
Carrier gas	He	Helium	He	He
Substrate
Column diameter (mm)	0.22	0.20	0.25	0.25	0.22
Phase thickness (μm)	0.25	0.20	0.5	0.25	0.25
T_start (C)	60.	70.	60.	40.	60.
T_end (C)	230.	180.	260.	250.	220.
Heat rate (K/min)	2.	4.	3.	3.	2.
Initial hold (min)		4.		5.
Final hold (min)	35.	15.		10.	20.
I	1593.	1561.	1598.	1597.	1597.
Reference	Paolini, Muselli, et al., 2007	Politeo, Jukic, et al., 2007	Saroglou, Marin, et al., 2007	Aromdee and Sriubolmas, 2006	Blanc, Bradesi, et al., 2006
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	BP-20	RTX-Wax	BP-20	HP-Wax	BP-20
Column length (m)	50.	60.	50.	30.	50.
Carrier gas	He	He	He	N2	He
Substrate
Column diameter (mm)	0.22	0.22	0.22	0.25	0.22
Phase thickness (μm)	0.25	0.25	0.25	0.25	0.25
T_start (C)	60.	60.	60.	60.	60.
T_end (C)	220.	230.	220.	220.	220.
Heat rate (K/min)	2.	2.	2.	5.	2.
Initial hold (min)				10.
Final hold (min)	20.	45.	20.		20.
I	1585.	1587.	1585.	1598.	1595.
Reference	Boti, Bighelli, et al., 2006	Cavalli, Tomi, et al., 2006	Duquesnoy, Dinh, et al., 2006	Flamini, Tebano, et al., 2006	Gonny, Cavaleiro, et al., 2006
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	DB-Wax	DB-Wax	Supelcowax-10	Supelcowax-10	DB-Wax
Column length (m)	30.	60.	30.	30.	30.
Carrier gas	He	He	He	He	He
Substrate
Column diameter (mm)	0.25	0.32	0.2	0.2	0.25
Phase thickness (μm)	0.25	0.25	0.2	0.2	0.5
T_start (C)	50.	35.	70.	70.	50.
T_end (C)	220.	220.	220.	220.	260.
Heat rate (K/min)	4.	3.	3.	3.	4.
Initial hold (min)	4.
Final hold (min)	20.		15.	15.	5.
I	1605.	1594.	1590.	1594.	1622.
Reference	Osorio, Alarcon, et al., 2006	Pala-Paul, Copeland, et al., 2006	Pinto, Pina-Vaz, et al., 2006	Salgueiro L.R., Pinto E., et al., 2006	Selli, Rannou, et al., 2006
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	HP-20M	DB-Wax	BP-20	DB-Wax	DB-Wax
Column length (m)	50.	30.	50.	60.	30.
Carrier gas	He	He	He	N2	He
Substrate
Column diameter (mm)	0.2	0.25	0.22	0.25	0.25
Phase thickness (μm)	0.2	0.25	0.25	0.25	0.25
T_start (C)	70.	40.	60.	70.	40.
T_end (C)	180.	250.	220.	230.	250.
Heat rate (K/min)	4.	3.	2.	2.	3.
Initial hold (min)	4.			2.
Final hold (min)	10.	20.	20.	20.	20.
I	1578.	1562.	1593.	1604.	1581.
Reference	Skocibusic, Bezic, et al., 2006	Berlinet, Ducruet, et al., 2005	Boti J.B., Koukoua G., et al., 2005	Choi, 2005	Fanciullino, Gancel, et al., 2005
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	BP-20	DB-Wax	Innowax	DB-Wax	RTX-Wax
Column length (m)	50.	30.	50.	60.	60.
Carrier gas	He	He	He	N2	He
Substrate
Column diameter (mm)	0.22	0.25	0.25	0.25	0.22
Phase thickness (μm)	0.25	0.25	0.25	0.25	0.25
T_start (C)	60.	40.	50.	70.	60.
T_end (C)	220.	250.	220.	230.	230.
Heat rate (K/min)	2.	3.	2.	2.	2.
Initial hold (min)			3.	2.
Final hold (min)	20.	20.	20.	20.	35.
I	1591.	1580.	1584.	1614.	1593.
Reference	Ferrari, Tomi, et al., 2005	Gancel, Ollitrault, et al., 2005	Lee, Lee, et al., 2005	Njoroge, Koaze, et al., 2005	Paolini, Costa, et al., 2005
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	DB-Wax	Supelcowax-10	BP-20	Megawax	DB-Wax
Column length (m)	30.	60.	50.	30.	30.
Carrier gas	He	He	He	He	Helium
Substrate
Column diameter (mm)	0.25	0.2	0.22	0.25	0.32
Phase thickness (μm)	0.25	0.2	0.25	0.25	0.50
T_start (C)	40.	60.	60.	40.	40.
T_end (C)	200.	200.	230.	220.	240.
Heat rate (K/min)	2.	2.	2.	2.	7.
Initial hold (min)				6.
Final hold (min)	20.	10.	35.	10.	5.
I	1583.	1571.	1593.	1555.	1644.
Reference	Seo and Baek, 2005	Smadja, Rondeau, et al., 2005	Vellutini, Baldovini, et al., 2005	Verzera, Trozzi, et al., 2005	Bell, 2004
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	DB-Wax	HP-Wax	DB-Wax	Supelcowax-10	RTX-Wax
Column length (m)	30.	30.	60.	30.	30.
Carrier gas	N2	N2	He	He	He
Substrate
Column diameter (mm)	0.25	0.25	0.32	0.2	0.25
Phase thickness (μm)	0.25	0.25	0.25	0.2	0.25
T_start (C)	60.	60.	32.	70.	45.
T_end (C)	220.	220.	220.	220.	240.
Heat rate (K/min)	5.	5.	3.	3.	3.
Initial hold (min)	10.	10.			6.
Final hold (min)				15.	10.
I	1615.	1620.	1595.	1590.	1569.
Reference	Bertoli, Menichini, et al., 2004	Bertoli, Pistelli, et al., 2004	Brophy, Goldsack, et al., 2004	Cavaleiro, Salgueiro, et al., 2004	Dugo, Mondello, et al., 2004
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	HP-Wax	HP-Wax	HP-Wax	HP-Wax	BP-20
Column length (m)	30.	30.	30.	30.	50.
Carrier gas	He	N2	N2	N2
Substrate
Column diameter (mm)	0.25	0.25	0.25	0.25	0.22
Phase thickness (μm)	0.25	0.25	0.25	0.25	0.25
T_start (C)	60.	60.	60.	60.	60.
T_end (C)	240.	240.	240.	220.	220.
Heat rate (K/min)	3.	3.	3.	5.	2.
Initial hold (min)				10.
Final hold (min)					20.
I	1605.	1604.	1604.	1595.	1595.
Reference	Flamini, Bader, et al., 2004	Flamini, Cioni, et al., 2004	Flamini, Cioni, et al., 2004	Flamini, Luigi Cioni, et al., 2004	Gonny, Bradesi, et al., 2004
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	HP-20M	BP-20	DB-Wax	DB-Wax	DB-Wax
Column length (m)	50.	50.	30.	30.	30.
Carrier gas	He	He	He	He	He
Substrate
Column diameter (mm)	0.2	0.22	0.25	0.25	0.25
Phase thickness (μm)	0.2	0.25	0.25	0.25	0.25
T_start (C)	70.	60.	40.	40.	40.
T_end (C)	180.	220.	200.	200.	200.
Heat rate (K/min)	4.	2.	4.	4.	4.
Initial hold (min)	4.		5.	5.	5.
Final hold (min)	10.	20.	20.	20.	20.
I	1578.	1587.	1581.	1579.	1586.
Reference	Skocibusic and Bezic, 2004	Tam, Thuam, et al., 2004	Yu, Kim, et al., 2004	Yu, Kim, et al., 2004, 2	Zheng, Kim, et al., 2004
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	HP-Wax	HP-Wax	HP-20M	BP-20	BP-20
Column length (m)	30.	30.	50.	50.	50.
Carrier gas	N2	N2	He	He	He
Substrate
Column diameter (mm)	0.25	0.25	0.2	0.22	0.22
Phase thickness (μm)	0.25	0.25	0.2	0.25	0.25
T_start (C)	60.	60.	70.	60.	60.
T_end (C)	220.	220.	180.	230.	230.
Heat rate (K/min)	5.	5.	4.	2.	2.
Initial hold (min)	10.	10.	4.
Final hold (min)			10.	35.	35.
I	1595.	1604.	1583.	1583.	1583.
Reference	Bader, Caponi, et al., 2003	Bader, Caponi, et al., 2003, 2	Bezic, Skocibusic, et al., 2003	Bianchini, Tomi, et al., 2003	Bianchini, Tomi, et al., 2003
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	Carbowax 20M	DB-Wax	HP-Wax	HP-Wax	RTX-Wax
Column length (m)	25.	30.	30.	30.	60.
Carrier gas	He	He	N2	N2	He
Substrate
Column diameter (mm)	0.25	0.25	0.25	0.25	0.22
Phase thickness (μm)	0.3	0.25	0.25	0.25	0.25
T_start (C)	50.	40.	60.	60.	60.
T_end (C)	200.	250.	220.	220.	230.
Heat rate (K/min)	3.	3.	5.	5.	2.
Initial hold (min)	1.		10.	10.
Final hold (min)	20.	20.			45.
I	1589.	1565.	1604.	1604.	1604.
Reference	Bicchi, Rubiolo, et al., 2003	Brat, Rega, et al., 2003	Campeol, Flamini, et al., 2003	Campeol, Flamini, et al., 2003	Cavalli, Tomi, et al., 2003
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	DB-Wax	DB-Wax	DB-Wax	HP-20M	CP-Wax 52CB
Column length (m)	60.	60.	30.	50.	50.
Carrier gas	N2	H2		He	He
Substrate
Column diameter (mm)	0.25	0.32	0.32	0.2	0.25
Phase thickness (μm)	0.25	0.25	0.5	0.2	0.2
T_start (C)	70.	40.	40.	70.	32.
T_end (C)	230.	245.	240.	180.	220.
Heat rate (K/min)	2.	1.5	7.	4.	1.
Initial hold (min)	2.			4.	1.
Final hold (min)	20.	20.	5.	10.
I	1608.	1580.	1618.	1583.	1576.
Reference	Choi, 2003	Gancel, Ollitrault, et al., 2003	Högnadóttir and Rouseff, 2003	Jerkovic, Mastelic, et al., 2003	Kjeldsen, Christensen, et al., 2003
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	DB-Wax	AT-Wax	HP-20M	RTX-Wax	HP-Innowax
Column length (m)	60.	60.	50.	30.	30.
Carrier gas	N2	He	He	He	He
Substrate
Column diameter (mm)	0.25	0.32	0.2	0.25	0.25
Phase thickness (μm)	0.25	0.25	0.2	0.25	0.5
T_start (C)	40.	65.	70.	45.	60.
T_end (C)	210.	250.	180.	250.	260.
Heat rate (K/min)	2.	2.	5.	3.	3.
Initial hold (min)		10.	4.	6.
Final hold (min)	40.	60.	10.
I	1581.	1581.	1578.	1572.	1598.
Reference	Mau, Ko, et al., 2003	Pino, Almora, et al., 2003	Radonic and Milso, 2003	Shellie, Marriott, et al., 2003	Skaltsa, Demetzos, et al., 2003
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	HP20Wax	HP-Innowax	Megawax	Innowax	BP-20
Column length (m)	50.	30.	30.	30.	50.
Carrier gas	He	He	He	He	He
Substrate
Column diameter (mm)	0.2	0.25	0.25	0.25	0.22
Phase thickness (μm)	0.2	0.5	0.25	0.5	0.25
T_start (C)	70.	60.	40.	60.	60.
T_end (C)	180.	260.	220.	260.	220.
Heat rate (K/min)	4.	3.	2.	3.	2.
Initial hold (min)	4.		6.
Final hold (min)	10.		10.	10.	20.
I	1578.	1599.	1555.	1607.	1588.
Reference	Skocibusic and Bezic, 2003	Tzakou, Couladis, et al., 2003	Verzera, Trozzi, et al., 2003	Couladis, Chinou, et al., 2002	Lota, de Rocca Serra, et al., 2002
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	RTX-Wax	AT-Wax	BP-20	HP-Innowax	HP-Innowax
Column length (m)	30.	60.	50.	30.	30.
Carrier gas	He	He		He	He
Substrate
Column diameter (mm)	0.25	0.32	0.22	0.25	0.25
Phase thickness (μm)	0.25	0.25	0.25	0.50	0.50
T_start (C)	45.	65.	60.	60.	60.
T_end (C)	250.	250.	220.	260.	260.
Heat rate (K/min)	3.	2.	2.	3.	3.
Initial hold (min)	6.	10.
Final hold (min)	10.	60.	20.	10.
I	1561.	1576.	1587.	1610.	1599.
Reference	Mondello, Zappia, et al., 2002	Pino, Marbot, et al., 2002	Pintore, Usai, et al., 2002	Couladis, Baziou, et al., 2001	Couladis, Tzakou, et al., 2001
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	CP-Wax 52CB	BP-20	HP-20M	AT-Wax	AT-Wax
Column length (m)	50.	50.	50.	60.	60.
Carrier gas		He	He	He	He
Substrate
Column diameter (mm)	0.25	0.22	0.20	0.32	0.32
Phase thickness (μm)	0.2	0.25	0.20	0.25	0.25
T_start (C)	32.	60.	70.	65.	65.
T_end (C)	220.	220.	180.	250.	250.
Heat rate (K/min)	1.	2.	4.	2.	2.
Initial hold (min)	1.		4.	10.	10.
Final hold (min)			10.	60.	60.
I	1576.	1588.	1578.	1576.	1576.
Reference	Kjeldsen, Christensen, et al., 2001	Lota, Serra, et al., 2001	Milos, Radonic, et al., 2001	Pino and Marbot, 2001	Pino, Marbot, et al., 2001
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	BP-20	BP-20	DB-Wax	DB-Wax	DB-Wax
Column length (m)	50.	50.	60.	60.	60.
Carrier gas	He		He	He	He
Substrate
Column diameter (mm)	0.22	0.22	0.50	0.53	0.53
Phase thickness (μm)	0.25	0.25	1.0	1.0	1.0
T_start (C)	60.	60.	60.	50.	50.
T_end (C)	220.	220.	225.	220.	220.
Heat rate (K/min)	2.	2.	3.	3.	3.
Initial hold (min)
Final hold (min)	20.	20.
I	1588.	1571.	1594.	1594.	1594.
Reference	Rezzi, Bighelli, et al., 2001	Baldovini, Ristorcelli, et al., 2000	Brophy, Goldsack, et al., 2000	Brophy, Goldsack, et al., 2000, 2	Brophy, Goldsack, et al., 2000, 3
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	CP-Wax 52CB	CP-Wax 52CB	CP-Wax 52CB	DB-Wax	DB-Wax
Column length (m)	25.	25.	50.	60.	30.
Carrier gas				N2	He
Substrate
Column diameter (mm)	0.25	0.25	0.32	0.25	0.25
Phase thickness (μm)	0.15	0.15		0.25	0.25
T_start (C)	40.	40.	60.	70.	40.
T_end (C)	220.	220.	220.	230.	200.
Heat rate (K/min)	3.	3.	4.	2.	2.
Initial hold (min)	5.	5.	5.	2.	5.
Final hold (min)			30.	20.	20.
I	1596.	1596.	1588.	1606.	1575.
Reference	Chagonda, Makanda, et al., 2000	Chagonda, Makanda, et al., 2000	Chevance, Farmer, et al., 2000	Choi and Sawamura, 2000	Kim, Thuy, et al., 2000
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	DB-Wax	Supelcowax-10	BP-20	HP-20M	DB-Wax
Column length (m)	30.	30.	50.	50.	60.
Carrier gas	He	He	He		He
Substrate
Column diameter (mm)	0.25	0.32	0.22	0.2	0.53
Phase thickness (μm)	0.25	0.25	0.25	0.2
T_start (C)	40.	75.	60.	70.	50.
T_end (C)	200.	200.	230.	180.	220.
Heat rate (K/min)	2.	2.5	2.	4.	3.
Initial hold (min)	5.			4.
Final hold (min)	20.		35.	10.
I	1584.	1598.	1588.	1585.	1594.
Reference	Kim, Thuy, et al., 2000	Lazari, Skaltsa, et al., 2000	Lota, de Rocca Serra, et al., 2000	Milos and Radonic, 2000	Brophy, Goldsack, et al., 1999
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	DB-Wax	CP-Wax 52CB	CP-Wax 52CB	CP-Wax 52CB	HP-Innowax
Column length (m)	60.	50.	50.	50.	60.
Carrier gas	He				He
Substrate
Column diameter (mm)	0.53	0.32	0.32	0.32	0.25
Phase thickness (μm)
T_start (C)	50.	60.	60.	40.	32.
T_end (C)	220.	220.	220.	220.	220.
Heat rate (K/min)	3.	4.	4.	4.	2.
Initial hold (min)		5.	5.	5.	1.
Final hold (min)		30.	30.	30.	40.
I	1594.	1582.	1564.	1581.	1595.
Reference	Brophy, Goldsack, et al., 1999, 2	Chevance and Farmer, 1999	Chevance and Farmer, 1999, 2	Chevance and Farmer, 1999, 2	Christensen, Jakobsen, et al., 1999
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	BP-20	BP-20	BP-20	Innowax	Carbowax 20M
Column length (m)	50.	50.	50.	60.	25.
Carrier gas	He	He	He	He	H2
Substrate
Column diameter (mm)	0.22	0.22	0.22	0.25	0.25
Phase thickness (μm)	0.25	0.25	0.25	0.25	0.3
T_start (C)	60.	60.	60.	50.	50.
T_end (C)	230.	230.	220.	180.	200.
Heat rate (K/min)	2.	2.	2.	2.5	3.
Initial hold (min)				5.	1.
Final hold (min)	35.	35.	20.		20.
I	1588.	1588.	1591.	1612.	1590.
Reference	Lota, Serra, et al., 1999	Lota, Serra, et al., 1999	Mazzoni, Tomi, et al., 1999	Stashenko, Cervantes, et al., 1999	Bicchi, Rubiolo, et al., 1998
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	DB-Wax	SP-1000	DB-Wax	DB-Wax	DB-Wax
Column length (m)	60.	85.	60.	60.	60.
Carrier gas	He	He	He	He
Substrate
Column diameter (mm)	0.32	0.5	0.32	0.32	0.25
Phase thickness (μm)					0.25
T_start (C)	35.	60.	65.	35.	40.
T_end (C)	220.	225.	225.	220.	200.
Heat rate (K/min)	3.	3.	3.	3.	3.
Initial hold (min)					5.
Final hold (min)					60.
I	1601.	1594.	1594.	1594.	1600.
Reference	Brophy, Forster, et al., 1998	Brophy, Forster, et al., 1998, 2	Brophy, Goldsack, et al., 1998	Brophy, Goldsack, et al., 1998, 2	Cha, Kim, et al., 1998
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	DB-Wax	Carbowax 20M	DB-Wax	SP-1000	HP-Wax
Column length (m)	30.	25.	60.	85.	50.
Carrier gas			He	He	He
Substrate
Column diameter (mm)	0.32	0.25	0.32	0.5	0.2
Phase thickness (μm)	0.5	0.3			0.4
T_start (C)	40.	50.	65.	65.	30.
T_end (C)	245.	200.	225.	225.	220.
Heat rate (K/min)	3.	3.	3.	3.	5.
Initial hold (min)	3.	1.			1.
Final hold (min)	20.	20.			30.
I	1582.	1594.	1594.	1594.	1625.
Reference	Ollé, Baumes, et al., 1998	Bicchi, Fresia, et al., 1997	Brophy, Goldsack, et al., 1997	Brophy, Goldsack, et al., 1997, 2	Christensen, Jakobsen, et al., 1997
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	BP-20	DB-Wax	DB-Wax	CP-Wax 52CB	DB-Wax
Column length (m)	50.	25.	60.	50.	60.
Carrier gas	He	He	He	H2	He
Substrate
Column diameter (mm)	0.22	0.25	0.32	0.23	0.25
Phase thickness (μm)	0.25	0.25	0.5	0.12	0.25
T_start (C)	60.	50.	50.	50.	50.
T_end (C)	230.	240.	225.	200.	180.
Heat rate (K/min)	2.	4.	2.	1.5	2.5
Initial hold (min)		3.		10.	5.
Final hold (min)	35.		20.	10.
I	1590.	1582.	1613.	1642.	1612.
Reference	Mariotti, Costa, et al., 1997	Möllenbeck, König, et al., 1997	Sagrero-Nieves, Bartley, et al., 1997	Chyau, Mau, et al., 1996	Stashenko, Prada, et al., 1996
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	Supelcowax-10	Carbowax 20M	Carbowax 20M	DB-Wax	DB-Wax
Column length (m)	60.	60.	50.	60.	60.
Carrier gas	He	He	He	He	He
Substrate
Column diameter (mm)	0.25	0.32	0.2	0.20	0.25
Phase thickness (μm)	0.25	0.425	0.2	0.20	0.25
T_start (C)	60.	45.	30.	70.	50.
T_end (C)	230.	300.	170.	180.	150.
Heat rate (K/min)	5.	3.	4.	2.	2.
Initial hold (min)	5.	3.	2.	5.	10.
Final hold (min)	20.	20.	20.		20.
I	1619.	1603.	1606.	1597.	1610.
Reference	Granicher, Christen, et al., 1995	Mondello, Dugo, et al., 1995	Píry, Príbela, et al., 1995	Stashenko, Wiame, et al., 1995	Combariza, Tirado, et al., 1994
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	CP-Wax 52CB	HP-20M	DB-Wax	DB-Wax	Carbowax 20M
Column length (m)	50.	50.	60.	30.	60.
Carrier gas	H2	He		He	He
Substrate
Column diameter (mm)	0.32	0.25	0.25	0.32	0.32
Phase thickness (μm)			0.25	0.5
T_start (C)	50.	60.	50.	40.	50.
T_end (C)	200.	190.	230.	220.	225.
Heat rate (K/min)	1.5	3.	2.	3.	1.5
Initial hold (min)	10.		4.
Final hold (min)	40.		30.		80.
I	1593.	1594.	1587.	1591.	1567.
Reference	Wu and Yang, 1994	Chung, Eiserich, et al., 1993	Shiratsuchi, Shimoda, et al., 1993	Le Quere and Latrasse, 1990	Chen and Ho, 1988
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	Carbowax 20M	Carbowax 20M	Carbowax 20M	Carbowax 20M	Carbowax 20M
Column length (m)	60.	60.	60.	60.	60.
Carrier gas
Substrate
Column diameter (mm)	0.32	0.32	0.32	0.32	0.32
Phase thickness (μm)	0.25	0.25	0.25	0.25	0.25
T_start (C)	40.	40.	40.	40.	40.
T_end (C)	230.	230.	230.	230.	230.
Heat rate (K/min)
Initial hold (min)
Final hold (min)
I	1583.	1593.	1595.	1596.	1612.
Reference	Peppard and Ramus, 1988	Peppard and Ramus, 1988	Peppard and Ramus, 1988	Peppard and Ramus, 1988	Peppard and Ramus, 1988
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary
Active phase	PEG-20M	PEG-20M	PEG-20M
Column length (m)	25.	25.	25.
Carrier gas
Substrate
Column diameter (mm)	0.26	0.26	0.26
Phase thickness (μm)	0.3	0.3	0.3
T_start (C)	100.	60.	60.
T_end (C)	200.	200.	200.
Heat rate (K/min)	2.	2.	8.
Initial hold (min)
Final hold (min)
I	1611.0	1594.3	1623.3
Reference	Wang and Sun, 1987	Wang and Sun, 1987	Wang and Sun, 1987
Comment	MSDC-RI	MSDC-RI	MSDC-RI

References

Go To: Top, Van Den Dool and Kratz RI, polar column, temperature ramp, Notes

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Bertoli, Menichini, et al., 2004
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Bertoli, Pistelli, et al., 2004
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Brophy, Goldsack, et al., 2004
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Cavaleiro, Salgueiro, et al., 2004
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Dugo, Mondello, et al., 2004
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Tam, N.T.; Thuam, D.T.; Bighelli, A.; Castola, V.; Muselli, A.; Richomme, P.; Casanova, J., Baeckea frutescens leaf oil from Vietnam: composition and chemical variability, Flavour Fragr. J., 2004, 19, 3, 217-220, https://doi.org/10.1002/ffj.1281 . [all data]

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Zheng, C.H.; Kim, T.H.; Kim, K.H.; Leem, Y.H.; Lee, H.J., Characterization of potent aroma compounds in Chrysanthemum coronarium L. (Garland) using aroma extract dilution analysis, Flavour Fragr. J., 2004, 19, 5, 401-405, https://doi.org/10.1002/ffj.1447 . [all data]

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Bezic, Skocibusic, et al., 2003
Bezic, N.; Skocibusic, M.; Dunkic, V.; Radonic, A., Composition and antimicrobial activity of Achillea clavennae L. essential oil, Phytother. Res., 2003, 17, 9, 1037-1040, https://doi.org/10.1002/ptr.1290 . [all data]

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Bianchini, A.; Tomi, P.; Bernardini, A.F.; Morelli, I.; Flamini, G.; Cioni, P.L.; Usai, M.; Marchetti, M., A comparative study of volatile constituents of two Helichrysum italicum (Roth) Guss. Don Fil subspecies growing in Corsica (France), Tuscany and Sardinia (Italy), Flavour Fragr. J., 2003, 18, 6, 487-491, https://doi.org/10.1002/ffj.1231 . [all data]

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Cavalli, Tomi, et al., 2003
Cavalli, J.-F.; Tomi, F.; Bernardini, A.-F.; Casanova, J., Composition and chemical variability of the bark oil of Cedrelopsis grevei H. Baillon from Madagascar, Flavour Fragr. J., 2003, 18, 6, 532-538, https://doi.org/10.1002/ffj.1263 . [all data]

Choi, 2003
Choi, H.-S., Character impact odorants of Citrus Hallabong [(C. unshiu Marcov × C. sinensis Osbeck) × C. reticulata Blanco] cold-pressed peel oil, J. Agric. Food Chem., 2003, 51, 9, 2687-2692, https://doi.org/10.1021/jf021069o . [all data]

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Högnadóttir and Rouseff, 2003
Högnadóttir, Á.; Rouseff, R.L., Identification of aroma active compounds in organce essence oil using gas chromatography-olfactometry and gas chromatography-mass spectrometry, J. Chromatogr. A, 2003, 998, 1-2, 201-211, https://doi.org/10.1016/S0021-9673(03)00524-7 . [all data]

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Mau, Ko, et al., 2003
Mau, J.-L.; Ko, P.T.; Chyau, C.-C., Aroma characterization and antioxidant activity of supercritical carbon dioxide extracts from Terminalia catappa leaves, Food Res. Int., 2003, 36, 1, 97-104, https://doi.org/10.1016/S0963-9969(02)00114-X . [all data]

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Radonic and Milso, 2003
Radonic, A.; Milso, M., Chemical Composition and In Vitro Evaluation of Antioxidant Effect of Free Volatile Compounds From Satureja montana L., Free Radical Research, 2003, 37, 6, 673-679, https://doi.org/10.1080/1071576031000105643 . [all data]

Shellie, Marriott, et al., 2003
Shellie, R.; Marriott, P.; Zappia, G.; Mondello, L.; Dugo, G., Interactive use of linear retention indices on polar and apolar columns with an MS-Library for reliable characterization of Australian tea tree and other Melaleuca sp. oils, J. Essent. Oil Res., 2003, 15, 5, 305-312, https://doi.org/10.1080/10412905.2003.9698597 . [all data]

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Skocibusic and Bezic, 2003
Skocibusic, M.; Bezic, N., Chemical composition and antidiarrhoeal activities of winter savory (Satureja montana L.) essential oil, Pharm. Biol., 2003, 41, 8, 622-626, https://doi.org/10.1080/13880200390502180 . [all data]

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Verzera, Trozzi, et al., 2003
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Couladis, Chinou, et al., 2002
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Lota, de Rocca Serra, et al., 2002
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Mondello, Zappia, et al., 2002
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Pino, Marbot, et al., 2002
Pino, J.A.; Marbot, R.; Vázquez, C., Characterization of volatile in Cosa Rican Guava [Psidium friedrichsthalianum (Berg) Niedenzu] fruit, J. Agric. Food Chem., 2002, 50, 21, 6023-6026, https://doi.org/10.1021/jf011456i . [all data]

Pintore, Usai, et al., 2002
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Couladis, Tzakou, et al., 2001
Couladis, M.; Tzakou, O.; Stojanovic, D.; Mimica-Dukic, N.; Jancic, R., The essential oil composition of Salvia argentea L., Flavour Fragr. J., 2001, 16, 3, 227-229, https://doi.org/10.1002/ffj.989 . [all data]

Kjeldsen, Christensen, et al., 2001
Kjeldsen, F.; Christensen, L.P.; Edelenbos, M., Quantitative analysis of aroma compounds in carrot (Daucus carota L.) cultivars by capillary gas chromatography using large-volume injection technique, J. Agric. Food Chem., 2001, 49, 9, 4342-4348, https://doi.org/10.1021/jf010213n . [all data]

Lota, Serra, et al., 2001
Lota, M.-L.; Serra, D.R.; Jacquemond, C.; Tomi, F.; Casanova, J., Chemical variability of peel and leaf essential oils of sour orange, Flavour Fragr. J., 2001, 16, 2, 89-96, https://doi.org/10.1002/1099-1026(200103/04)16:2<89::AID-FFJ950>3.0.CO;2-D . [all data]

Milos, Radonic, et al., 2001
Milos, M.; Radonic, A.; Bezic, N.; Dunkic, V., Localities and seasonal variations in the chemical composition of essential oils of Satureja montana L. and S. cuneifolia Ten, Flavour Fragr. J., 2001, 16, 3, 157-160, https://doi.org/10.1002/ffj.965 . [all data]

Pino and Marbot, 2001
Pino, J.A.; Marbot, R., Volatile flavor constituents of acerola (Malpighia emarginata DC.) fruit, J. Agric. Food Chem., 2001, 49, 12, 5880-5882, https://doi.org/10.1021/jf010270g . [all data]

Pino, Marbot, et al., 2001
Pino, J.A.; Marbot, R.; Vázquez, C., Characterization of volatiles in strawberry guava (Psidium cattleianum Sabine) fruit, J. Agric. Food Chem., 2001, 49, 12, 5883-5887, https://doi.org/10.1021/jf010414r . [all data]

Rezzi, Bighelli, et al., 2001
Rezzi, S.; Bighelli, A.; Mouillot, D.; Casanova, J., Composition and chemical variability of the needle essential oil of Pinus nigra subsp. laricio from corsica, Flavour Fragr. J., 2001, 16, 5, 379-383, https://doi.org/10.1002/ffj.1018 . [all data]

Baldovini, Ristorcelli, et al., 2000
Baldovini, N.; Ristorcelli, D.; Tomi, F.; Casanova, J., Infraspecific variability of the essential oil of Calamintha nepeta from Corsica (France), Flavour Fragr. J., 2000, 15, 1, 50-54, https://doi.org/10.1002/(SICI)1099-1026(200001/02)15:1<50::AID-FFJ871>3.0.CO;2-F . [all data]

Brophy, Goldsack, et al., 2000
Brophy, J.J.; Goldsack, R.J.; Forster, P.I., Essential oils of the genus Lophostemon (Myrtaceae), Flavour Fragr. J., 2000, 15, 1, 17-20, https://doi.org/10.1002/(SICI)1099-1026(200001/02)15:1<17::AID-FFJ859>3.0.CO;2-D . [all data]

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Brophy, Goldsack, et al., 2000, 3
Brophy, J.J.; Goldsack, R.J.; Punruckvong, A.; Bean, A.R.; Forster, P.I.; Lepschi, B.J.; Doran, J.C.; Rozefelds, A.C., Leaf essential oils of the genus Leptospermum (Myrtaceae) in eastern Australia. Part 7. Leptospermum petersonii, L. liversidgei and allies, Flavour Fragr. J., 2000, 15, 5, 342-351, https://doi.org/10.1002/1099-1026(200009/10)15:5<342::AID-FFJ924>3.0.CO;2-V . [all data]

Chagonda, Makanda, et al., 2000
Chagonda, L.S.; Makanda, C.D.; Chalchat, J.-C., The essential oils of Ocimum canum Sims (basilic camphor) and Ocimum urticifolia Roth from Zimbabwe, Flavour Fragr. J., 2000, 15, 1, 23-26, https://doi.org/10.1002/(SICI)1099-1026(200001/02)15:1<23::AID-FFJ866>3.0.CO;2-W . [all data]

Chevance, Farmer, et al., 2000
Chevance, F.F.V.; Farmer, L.J.; Desmond, E.M.; Novelli, E.; Troy, D.J.; Chizzolini, R., Effect of some fat replacers on the release of volatile aroma compounds from low-fat meat products, J. Agric. Food Chem., 2000, 48, 8, 3476-3484, https://doi.org/10.1021/jf991211u . [all data]

Choi and Sawamura, 2000
Choi, H.-S.; Sawamura, M., Composition of the essential oil of Citrus tamurana Hort. ex Tanaka (Hyuganatsu), J. Agric. Food Chem., 2000, 48, 10, 4868-4873, https://doi.org/10.1021/jf000651e . [all data]

Kim, Thuy, et al., 2000
Kim, T.H.; Thuy, N.T.; Shin, J.H.; Baek, H.H.; Lee, H.J., Aroma-active compounds of miniature beefsteakplant (Mosla dianthera Maxim.), J. Agric. Food Chem., 2000, 48, 7, 2877-2881, https://doi.org/10.1021/jf000219x . [all data]

Lazari, Skaltsa, et al., 2000
Lazari, D.M.; Skaltsa, H.D.; Constantinidis, T., Volatile constituents of Cerastium candidissimum, a Greek endemic species, Flavour Fragr. J., 2000, 15, 3, 174-176, https://doi.org/10.1002/1099-1026(200005/06)15:3<174::AID-FFJ886>3.0.CO;2-Y . [all data]

Lota, de Rocca Serra, et al., 2000
Lota, M.-L.; de Rocca Serra, D.; Tomi, F.; Casanova, J., Chemical variability of peel and leaf essential oils of mandarins from Citrus reticulata Blanco, Biochem. Syst. Ecol., 2000, 28, 1, 61-78, https://doi.org/10.1016/S0305-1978(99)00036-8 . [all data]

Milos and Radonic, 2000
Milos, M.; Radonic, A., Gas chromatography mass spectral analysis of free and glycosidically bound volatile compounds from Juniperus oxycedrus L. growing wild in Croatia, Food Chem., 2000, 68, 3, 333-338, https://doi.org/10.1016/S0308-8146(99)00192-2 . [all data]

Brophy, Goldsack, et al., 1999
Brophy, J.J.; Goldsack, R.J.; Punruckvong, A.; Forster, P.I., The leaf essential oils of Pilidiostigma (Myrtaceae), Flavour Fragr. J., 1999, 14, 2, 143-146, https://doi.org/10.1002/(SICI)1099-1026(199903/04)14:2<143::AID-FFJ798>3.0.CO;2-P . [all data]

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Chevance and Farmer, 1999
Chevance, F.F.V.; Farmer, L.J., Identification of major volatile odor compounds in frankfurters, J. Agric. Food Chem., 1999, 47, 12, 5151-5160, https://doi.org/10.1021/jf990515d . [all data]

Chevance and Farmer, 1999, 2
Chevance, F.F.V.; Farmer, L.J., Release of volatile odor compounds from full-fat and reduced-fat frankfurters, J. Agric. Food Chem., 1999, 47, 12, 5161-5168, https://doi.org/10.1021/jf9905166 . [all data]

Christensen, Jakobsen, et al., 1999
Christensen, L.P.; Jakobsen, H.B.; Paulsen, E.; Hodal, L.; Andersen, K.E., Airborne compositae dermatitis: monoterpenes and no parthenolide are released from flowering Tanacetum parthenium (feverfew) plants, Arch. Dermatol. Res., 1999, 291, 7-8, 425-431, https://doi.org/10.1007/s004030050433 . [all data]

Lota, Serra, et al., 1999
Lota, M.-L.; Serra, D.R.; Tomi, F.; Bessiere, J.-M.; Casanova, J., Chemical composition of peel and leaf essential oils of Citrus medica L. and C. limonimedica Lush., Flavour Fragr. J., 1999, 14, 3, 161-166, https://doi.org/10.1002/(SICI)1099-1026(199905/06)14:3<161::AID-FFJ801>3.0.CO;2-8 . [all data]

Mazzoni, Tomi, et al., 1999
Mazzoni, V.; Tomi, F.; Casanova, J., A daucane-type sesquiterpene from Faucus carota seed oil, Flavour Fragr. J., 1999, 14, 5, 268-272, https://doi.org/10.1002/(SICI)1099-1026(199909/10)14:5<268::AID-FFJ823>3.0.CO;2-Z . [all data]

Stashenko, Cervantes, et al., 1999
Stashenko, E.E.; Cervantes, M.; Combariza, Y.; Fuentes, H.; Martínez, J.R., HRGC/FID and HRGC/MSD analysis of the secondary metabolites obtained by different extraction methods from Lepechinia schiedeana, an in vitro evaluation of its antioxidant activity, J. Hi. Res. Chromatogr., 1999, 22, 6, 343-349, https://doi.org/10.1002/(SICI)1521-4168(19990601)22:6<343::AID-JHRC343>3.0.CO;2-J . [all data]

Bicchi, Rubiolo, et al., 1998
Bicchi, C.; Rubiolo, P.; Marschall, H.; Weyerstahl, P.; Laurent, R., Constituents of Artemisia roxburghiana Besser essential oil, Flavour Fragr. J., 1998, 13, 1, 40-46, https://doi.org/10.1002/(SICI)1099-1026(199801/02)13:1<40::AID-FFJ688>3.0.CO;2-Z . [all data]

Brophy, Forster, et al., 1998
Brophy, J.J.; Forster, P.I.; Goldsack, R.J., Esssential oils of some Australian monimiaceae, Flavour Fragr. J., 1998, 13, 4, 273-276, https://doi.org/10.1002/(SICI)1099-1026(1998070)13:4<273::AID-FFJ745>3.0.CO;2-O . [all data]

Brophy, Forster, et al., 1998, 2
Brophy, J.J.; Forster, P.I.; Goldsack, R.J., The essential oils of three unusual Eucalypts: Eucalyptus curtisii, E. rubiginosa and E. tenuipes (Myrtaceae), Flavour Fragr. J., 1998, 13, 2, 87-89, https://doi.org/10.1002/(SICI)1099-1026(199803/04)13:2<87::AID-FFJ699>3.0.CO;2-Y . [all data]

Brophy, Goldsack, et al., 1998
Brophy, J.J.; Goldsack, R.J.; Forster, P.I.; Bean, A.R.; Clarkson, J.R.; Lepschi, B.J., Leaf essential oils of the genus Leptospermum (Myrtaceae) in Eastern Australia. Part 1. Leptospermum brachyandrum and Leptospermum pallidum groups, Flavour Fragr. J., 1998, 13, 1, 19-25, https://doi.org/10.1002/(SICI)1099-1026(199801/02)13:1<19::AID-FFJ679>3.0.CO;2-9 . [all data]

Brophy, Goldsack, et al., 1998, 2
Brophy, J.J.; Goldsack, R.J.; Bean, A.R.; Forster, P.I.; Lepschi, B.J., Leaf essential oils of the genus Leptospermum (Myrtaceae) in eastern Australia. Part 2. Leptospermum blakelyi and allies, Flavour Fragr. J., 1998, 13, 5, 353-358, https://doi.org/10.1002/(SICI)1099-1026(1998090)13:5<353::AID-FFJ759>3.0.CO;2-1 . [all data]

Cha, Kim, et al., 1998
Cha, Y.J.; Kim, H.; Cadwallader, K.R., Aroma-active compounds in Kimchi during fermentation, J. Agric. Food Chem., 1998, 46, 5, 1944-1953, https://doi.org/10.1021/jf9706991 . [all data]

Ollé, Baumes, et al., 1998
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Notes

Go To: Top, Van Den Dool and Kratz RI, polar column, temperature ramp, References

Symbols used in this document:

T_end Final temperature

T_start Initial temperature
Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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